SCHEMBL3907433

SCHEMBL3907433

O=C(O)Cc1cc(O)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CAMK2A Q9UQM7 6/20 0.47
CA2 P00918 1/20 0.47
AKR1B1 P15121 2/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
GRB2 P62993 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL29835996 1.00 EGFR (0.49) EGFRALDH1A1LMNAGLACYP2C9
SCHEMBL30523650 0.84 CAMK2A (0.51) EGFRALDH1A1LMNAGLACYP2C9
SCHEMBL1142805 0.84 CAMK2A (0.51) EGFRALDH1A1LMNAGLACYP2C9
SCHEMBL29471363 0.82 TSHR (0.53) TSHRAKR1B1
SCHEMBL503667 0.82 TSHR (0.53) TSHRAKR1B1
SCHEMBL29419312 0.81 TYR (0.60) EGFRALDH1A1LMNAGLACYP2C9
SCHEMBL156238 0.81 TYR (0.60) EGFRALDH1A1LMNAGLACYP2C9
SCHEMBL868684 0.80 KEAP1 (0.51) LMNACYP2C9AKR1B1
SCHEMBL155333 0.79 EGFR (0.70) EGFRALDH1A1LMNAGLACYP2C9
SCHEMBL2535192 0.79 EGFR (0.70) EGFRALDH1A1LMNAGLACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235006-A1 PYRIDINE DERIVATIVES AS TMEM16A MODULATORS FOR USE IN THE TREATMENT OF RESPIRATORY CONDITIONS Enterprise Therapeutics Limited (GB) 2022-07-28 US disclosed
CN-114616226-A Pyridine derivatives as TMEM16A modulators for the treatment of respiratory disorders TMEM16A有限公司 2022-06-10 CN disclosed
WO-2021014166-A1 PYRIDINE DERIVATIVES AS TMEM16A MODULATORS FOR USE IN THE TREATMENT OF RESPIRATORY CONDITIONS Enterprise Therapeutics Limited (GB) 2021-01-28 WO disclosed
WO-2009097144-A1 MOLECULAR PROBES FOR PET-IMAGING OF DOPAMINE NEUROTRANSMISSION AND NEUROENDOCRINE PROCESSES IN VIVO THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-06 WO disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP disclosed
EP-0609244-B1 METHOD OF PREPARING HALOGENATED HYDROXYPHENYLACETIC ACIDS BASF AG (DE) 1998-12-23 EP disclosed
EP-0609244-A1 METHOD OF PREPARING HALOGENATED HYDROXYPHENYLACETIC ACIDS BASF Aktiengesellschaft (DE) 1994-08-10 EP disclosed
WO-1993008294-A1 METHOD OF PREPARING HALOGENATED HYDROXYPHENYLACETIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1993-04-29 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 (2 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 EGFR 3054/4885ALDH1A1 1096/4885LMNA 3800/4885
US-20220235006-A1 PYRIDINE DERIVATIVES AS TMEM16A MODULATORS FOR USE IN THE TREATMENT OF RESPIRATORY CONDITIONS TMEM109, TMEM70, TMEM120A EGFR 1923/4885ALDH1A1 496/4885LMNA 2130/4885

“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.