SCHEMBL571502

SCHEMBL571502

CC1(c2ccccc2)NC(=O)N(Br)C1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 1/20 0.43
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12601424 0.75 ALDH1A1 (0.62) ALDH1A1GAATSHRTP53LMNA
SCHEMBL3387075 0.75 ALDH1A1 (0.60) ALDH1A1GAATSHRTP53LMNA
SCHEMBL1919973 0.75 KMT2A (0.60) ALDH1A1GAATSHRTP53LMNA
SCHEMBL13045977 0.75 ALDH1A1 (0.60) ALDH1A1GAATSHRTP53LMNA
SCHEMBL20214572 0.73 ALDH1A1 (0.57) ALDH1A1GAATSHRTP53LMNA
SCHEMBL20214571 0.73 ALDH1A1 (0.57) ALDH1A1GAATSHRTP53LMNA
SCHEMBL4237258 0.71 ALDH1A1 (0.56) ALDH1A1GAATSHRTP53LMNA
SCHEMBL17622984 0.71 KMT2A (0.73) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL8282180 0.71 ALDH1A1 (0.58) ALDH1A1GAATSHRTP53LMNA
SCHEMBL10246027 0.70 ALDH1A1 (0.57) ALDH1A1GAATSHRTP53LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550622-B2 Cycloalkylamidoacid compounds, processes for making and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-23 US claimed
US-11192875-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2021-12-07 US disclosed
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-12-17 US disclosed
US-10584109-B2 Processes for preparing antiviral compounds Gillead Pharmasset LLC (US) 2020-03-10 US disclosed
US-20190263771-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-08-29 US disclosed
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2018-06-28 US disclosed
US-9890134-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2018-02-13 US disclosed
US-20170283390-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
US-9670187-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-06 US disclosed
EP-3154984-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2017-04-19 EP disclosed
WO-2015191437-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2015-12-17 WO disclosed
US-20150361073-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-17 US disclosed
US-20130274284-A1 PREPARATION OF PRASUGREL HYDROCHLORIDE DR. REDDY'S LABORATORIES, INC. (US) 2013-10-17 US disclosed
EP-2601200-A2 PREPARATION OF PRASUGREL HYDROCHLORIDE Dr. Reddy's Laboratories Ltd. (IN) 2013-06-12 EP disclosed
EP-1656340-B1 Processes for making 1-carbamoylcycloalkylcarboxylic acid compounds BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
WO-2012018791-A2 PREPARATION OF PRASUGREL HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-09 WO disclosed
US-7550622-B2 Cycloalkylamidoacid compounds, processes for making and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-23 US disclosed
EP-1656340-A1 1-CARBAMOYLCYCLOALKYLCARBOXYLIC ACID COMPOUNDS, PROCESSES FOR MAKING AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2006-05-17 EP disclosed
US-20050085544-A1 Cycloalkylamidoacid compounds, processes for making and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US disclosed
WO-2005019158-A1 1-CARBAMOYLCYCLOALKYLCARBOXYLIC ACID COMPOUNDS, PROCESSES FRO MAKING AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10584109-B2 Processes for preparing antiviral compounds MAVS, EIF2AK2, SAMHD1 ALDH1A1 3004/4885GAA 150/4885TSHR 4459/4885
US-11192875-B2 Processes for preparing antiviral compounds MAVS, EIF2AK2, SAMHD1 ALDH1A1 3004/4885GAA 150/4885TSHR 4459/4885
US-20170283390-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 ALDH1A1 3004/4885GAA 150/4885TSHR 4459/4885
US-20130274284-A1 PREPARATION OF PRASUGREL HYDROCHLORIDE PFKP, PF4, PTAFR ALDH1A1 1209/4885GAA 1530/4885TSHR 3661/4885
US-20150361073-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 ALDH1A1 3004/4885GAA 150/4885TSHR 4459/4885
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 ALDH1A1 3004/4885GAA 150/4885TSHR 4459/4885
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 ALDH1A1 3004/4885GAA 150/4885TSHR 4459/4885
US-20050085544-A1 Cycloalkylamidoacid compounds, processes for making and uses thereof ACMSD, QPCT, DCXR ALDH1A1 757/4885GAA 103/4885TSHR 3727/4885
US-20190263771-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 ALDH1A1 3004/4885GAA 150/4885TSHR 4459/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.