SCHEMBL4354144

SCHEMBL4354144

O=C(O)N(CC(F)(F)F)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
GLA P06280 2/20 0.47
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NR1I2 O75469 2/20 0.41
MLYCD O95822 2/20 0.41
GAA P10253 1/20 0.41
NR1H2 P55055 1/20 0.41

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
SCHEMBL10893930 0.83 RORC (0.46) RORCSMN1; SMN2CYP3A4ALDH1A1TSHR
SCHEMBL26128801 0.81 SMN1; SMN2 (0.49) RORCMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL3644869 0.80 MEN1 (0.45) RORCMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL2511559 0.78 ALDH1A1 (0.50) RORCMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL17165741 0.78 ALDH1A1 (0.48) RORCMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL13735234 0.77 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL20681717 0.77 RORC (0.60) RORCMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL9160381 0.76 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
Fluoride SCHEMBL10887965 0.75 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL4732176 0.74 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 US disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-9475762-B2 Process for the preparation of urethanes COVESTRO DEUTSCHLAND AG (DE) 2016-10-25 US disclosed
US-20160152559-A1 PROCESS FOR THE PREPARATION OF URETHANES COVESTRO DEUTSCHLAND AG (DE) 2016-06-02 US disclosed
US-9284267-B2 Process for the preparation of urethanes BAYER MATERIALSCIENCE AG (DE) 2016-03-15 US disclosed
CN-101932555-B Process for preparing carbamates BAYER MATERIALSCIENCE AG 2014-03-19 CN disclosed
EP-2497082-B1 Fluorurethane as additive in a photopolymer formulation BAYER IP GMBH (DE) 2013-09-04 EP disclosed
US-20090275771-A1 Process for the preparation of urethanes COVESTRO DEUTSCHLAND AG (DE) 2009-11-05 US disclosed
WO-2009095164-A1 METHOD FOR PRODUCING URETHANES BAYER MATERIALSCIENCE AG (DE) 2009-08-06 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 (4 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-20160152559-A1 PROCESS FOR THE PREPARATION OF URETHANES OGG1, SOD1, DUOX2 RORC 2913/4885MEN1 3634/4885KMT2A 674/4885
US-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI RORC 4537/4885MEN1 641/4885KMT2A 1209/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 RORC 4726/4885MEN1 475/4885KMT2A 1422/4885
US-20090275771-A1 Process for the preparation of urethanes OGG1, SOD1, DUOX2 RORC 2913/4885MEN1 3634/4885KMT2A 674/4885

“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.