SCHEMBL615360

SCHEMBL615360

NCc1cc(F)c(C(=O)O)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.34
PLAU P00749 2/20 0.34
MEP1B Q16820 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
TPSAB1 Q15661 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
Hydrochloric Acid SCHEMBL19328812 0.98 PLAU (0.34) LOXL2PLAUMEP1BCYP1A2CYP2D6
SCHEMBL542579 0.80 PRKAB2 (0.41) MEP1BTSHRKDM4ERARARARB
SCHEMBL12181094 0.78 RXRA (0.44) TSHRRARARARBRARG
SCHEMBL18006744 0.76 LOXL2 (0.50) LOXL2TSHRKDM4E
SCHEMBL7591984 0.76 CA1 (0.44) LOXL2CYP2D6TSHRKDM4ESMN1; SMN2
SCHEMBL10535955 0.76 ALDH1A1 (0.39) LOXL2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL2845325 0.75 EPHX2 (0.47) LOXL2PLAURARARARBRARG
SCHEMBL13808390 0.75 PTPN1 (0.44) RARARARBRARG
SCHEMBL31000666 0.75 SLC7A5 (0.52) CYP1A2CYP2C9KDM4E
SCHEMBL614717 0.75 MEN1 (0.39) CYP2C9CYP2C19KDM4ERARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
CN-109071457-A Inhibitors of indoleamine 2, 3-dioxygenase 荷兰转化研究中心有限责任公司 2018-12-21 CN disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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 (7 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LOXL2 1268/4885PLAU 31/4885MEP1B 1039/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LOXL2 1268/4885PLAU 31/4885MEP1B 1039/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LOXL2 1268/4885PLAU 31/4885MEP1B 1039/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 LOXL2 1268/4885PLAU 31/4885MEP1B 1039/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 LOXL2 1268/4885PLAU 31/4885MEP1B 1039/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LOXL2 1268/4885PLAU 31/4885MEP1B 1039/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LOXL2 1268/4885PLAU 31/4885MEP1B 1039/4885

“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.