SCHEMBL7106954

SCHEMBL7106954

O=C(O)C(O)C(O)C(=O)Nc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 2/20 0.55
POLB P06746 2/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KCNQ2 O43526 1/20 0.55
CYP1A2 P05177 2/20 0.51
GRIK1 P39086 1/20 0.51
CASR P41180 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL19283574 1.00 ALDH1A1 (0.58) ALDH1A1GPR55MEN1KMT2AMAPT
SCHEMBL15412316 1.00 ALDH1A1 (0.58) ALDH1A1GPR55MEN1KMT2AMAPT
SCHEMBL1509273 0.81 RAB9A (0.50) ALDH1A1MEN1KMT2AMAPTRAB9A
Cadaverine Tartrate SCHEMBL28944290 0.81 CXCL8 (0.45) ALDH1A1GPR55MEN1KMT2AMAPT
SCHEMBL2712814 0.79 KCNQ2 (0.59) ALDH1A1GPR55MEN1KMT2AMAPT
SCHEMBL3497579 0.79 RAB9A (0.56) ALDH1A1MAPTRAB9ANPC1POLB
SCHEMBL3347123 0.79 RAB9A (0.56) ALDH1A1MAPTRAB9ANPC1POLB
SCHEMBL3347133 0.79 RAB9A (0.56) ALDH1A1MAPTRAB9ANPC1POLB
SCHEMBL3499028 0.79 KMT2A (0.57) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL6348906 0.79 KCNQ2 (0.58) ALDH1A1GPR55MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527573-B9 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES INC (US) 2022-07-06 EP disclosed
US-10975096-B2 Synthesis of polycyclic-carbamoylpyridone compounds GILEAD SCIENCES, INC. (US) 2021-04-13 US disclosed
EP-3783001-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS Gilead Sciences, Inc. (US) 2021-02-24 EP disclosed
EP-3527573-B1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES INC (US) 2020-08-12 EP disclosed
US-20200223866-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES, INC. 2020-07-16 US disclosed
EP-3527573-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS Gilead Sciences, Inc. (US) 2019-08-21 EP disclosed
US-20180022757-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES, INC. 2018-01-25 US disclosed
EP-3157933-A2 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS Gilead Sciences, Inc. (US) 2017-04-26 EP disclosed
US-20150368264-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES, INC. 2015-12-24 US disclosed
WO-2015195656-A2 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES ,INC. (US) 2015-12-23 WO disclosed
EP-0969002-B1 L-tartrate of trans-(-)-4-(4-fluorophenyl)-3-hydroxymethyl-piperidine compound and process for preparing the same SUMIKA FINE CHEMICALS CO LTD (JP) 2003-08-27 EP disclosed
US-20020028944-A1 L-tartrate of trans-(-)-4-(4-fluorophenyl)-3-hydroxymethylpiperidine compound and process for preparing the same SUMIKA FINE CHEMICALS CO., LTD. 2002-03-07 US disclosed
US-6316628-B1 REACTING A TRANS-(.+-.)-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYLPIPERIDINE COMPOUND WITH L-TARTARIC ACID IN METHANOL, OR A MIXED SOLVENT OF METHANOL AND ISOPROPYL ALCOHOL OR ACETONE SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-11-13 US disclosed
EP-0969002-A1 L-tartrate of trans-(-)-4-(4-fluorophenyl)-3-hydroxymethyl-piperidine compound and process for preparing the same SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2000-01-05 EP disclosed
US-4105695-A LEARNING ENHANCEMENT, IMPROVES MENTAL ALERTNESS OF GERIATRICS BRISTOL-MYERS COMPANY (US) 1978-08-08 US disclosed
US-4034113-A Treatment of senile geriatric patients to restore performance SHULGIN ALEXANDER T 1977-07-05 US 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 (5 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-20150368264-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS CPS1, SDHA, DHPS ALDH1A1 883/4885GPR55 4651/4885MEN1 290/4885
US-20200223866-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS CPS1, SDHA, DHPS ALDH1A1 883/4885GPR55 4651/4885MEN1 290/4885
US-20020028944-A1 L-tartrate of trans-(-)-4-(4-fluorophenyl)-3-hydroxymethylpiperidine compound and process for preparing the same TPH1, TPH2, TKT ALDH1A1 372/4885GPR55 1515/4885MEN1 3725/4885
US-20180022757-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS CPS1, SDHA, DHPS ALDH1A1 883/4885GPR55 4651/4885MEN1 290/4885
US-10975096-B2 Synthesis of polycyclic-carbamoylpyridone compounds CPS1, SDHA, DHPS ALDH1A1 883/4885GPR55 4651/4885MEN1 290/4885

“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.